8DB3
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![BU of 8db3 by Molmil](/molmil-images/mine/8db3) | Crystal structure of KaiC with truncated C-terminal coiled-coil domain | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2022-06-14 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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5LF5
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7TS8
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![BU of 7ts8 by Molmil](/molmil-images/mine/7ts8) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-chloro-6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenyl)ethynyl)pyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-01-31 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TSO
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![BU of 7tso by Molmil](/molmil-images/mine/7tso) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-01-31 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TSF
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![BU of 7tsf by Molmil](/molmil-images/mine/7tsf) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-01-31 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.776 Å) | 主引用文献 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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6WRV
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![BU of 6wrv by Molmil](/molmil-images/mine/6wrv) | Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ... | 著者 | Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D. | 登録日 | 2020-04-30 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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7TSI
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![BU of 7tsi by Molmil](/molmil-images/mine/7tsi) | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-01-31 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TSN
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![BU of 7tsn by Molmil](/molmil-images/mine/7tsn) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-01-31 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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6WJU
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6WK4
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5LFW
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6WRW
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![BU of 6wrw by Molmil](/molmil-images/mine/6wrw) | Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ... | 著者 | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | 登録日 | 2020-04-30 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Transferrin receptor targeting by de novo sheet extension. Proc.Natl.Acad.Sci.USA, 118, 2021
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8DJC
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![BU of 8djc by Molmil](/molmil-images/mine/8djc) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | 分子名称: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Muckelbauer, J.K. | 登録日 | 2022-06-30 | 公開日 | 2023-03-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.463 Å) | 主引用文献 | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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6OVT
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![BU of 6ovt by Molmil](/molmil-images/mine/6ovt) | Crystal Structure of IlvD from Mycobacterium tuberculosis | 分子名称: | DI(HYDROXYETHYL)ETHER, Dihydroxy-acid dehydratase, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Almo, S.C, Grove, T.L, Bonanno, J.B, Baker, E.N, Bashiri, G. | 登録日 | 2019-05-08 | 公開日 | 2019-08-07 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster. J.Biol.Chem., 294, 2019
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6WKM
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8CXJ
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8CXR
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![BU of 8cxr by Molmil](/molmil-images/mine/8cxr) | Crystal structure of MraY bound to a sphaerimicin analogue | 分子名称: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | 著者 | Mashalidis, E.H, Lee, S.Y. | 登録日 | 2022-05-22 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY. Nat Commun, 13, 2022
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5M0W
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![BU of 5m0w by Molmil](/molmil-images/mine/5m0w) | N-terminal domain of mouse Shisa 3 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Lohkamp, B, Ojala, J.R.M. | 登録日 | 2016-10-06 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Ab initio solution of macromolecular crystal structures without direct methods. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6OM5
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![BU of 6om5 by Molmil](/molmil-images/mine/6om5) | Structure of a haemophore from Haemophilus haemolyticus | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Torrado, M, Walshe, J.L, Mackay, J.P, Guss, J.M, Gell, D.A. | 登録日 | 2019-04-18 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A heme-binding protein produced by Haemophilus haemolyticus inhibits non-typeable Haemophilus influenzae. Mol.Microbiol., 113, 2020
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8DIP
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![BU of 8dip by Molmil](/molmil-images/mine/8dip) | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030 | 分子名称: | (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2022-06-29 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6WEO
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![BU of 6weo by Molmil](/molmil-images/mine/6weo) | IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C. | 登録日 | 2020-04-02 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design. Immunity, 54, 2021
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5M0Y
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![BU of 5m0y by Molmil](/molmil-images/mine/5m0y) | Crystal Structure of the CohScaA-XDocCipB type II complex from Clostridium thermocellum at 1.5Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cellulosome anchoring protein cohesin region, ... | 著者 | Pinheiro, B.A, Bras, J.L, Carvalho, A.L, Fontes, C.M.G.A. | 登録日 | 2016-10-06 | 公開日 | 2017-09-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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8DBA
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![BU of 8dba by Molmil](/molmil-images/mine/8dba) | Crystal structure of dodecameric KaiC | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2022-06-14 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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6WKB
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8DCN
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